ロカグラミド - Moligand™, ≥98% , CAS No.84573-16-0

CAS: 84573-16-0 Cat. No.: R276055 分子式: C₂₉H₃₁NO₇ 分子量: 505.57 PubChem CID: 331783

注文可能

Synonyms

Storage

20℃で保存する。

Shipped In

アイスチェスト＋アイスパッド

概要 Specifications 名前と識別子 Documentation Advanced Data Taxonomic Classification 3 D構造関連ターゲット（人間）関連ターゲット（非人間）作用メカニズム証明書（CoA、COO、BSE/TSEと分析図）化学的性質と物理的性質ソリューション計算機レビュー

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Why this grade

Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

20℃で保存する。 Ships アイスチェスト＋アイスパッド Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

概要

20℃で保存する。乾燥条件下で保存する。製品は12ヶ月間保存可能。

Specifications

同義語

仕様と純度

Moligand™, ≥98%

生化学的・生理学的メカニズム

NF-κB活性化の強力な阻害剤。サイトカイン産生（IFN-γ、TNF-α、IL-2、IL-4）を抑制し、T細胞のNF-ATを阻害する。

保管条件

20℃で保存する。

入荷

アイスチェスト＋アイスパッド

等級

Moligand™

アクションタイプ

INHIBITOR

注

可能な限り、溶液はその日のうちに調製し、使用すること。ただし、事前にストック溶液を調製する必要がある場合は、密栓したバイアルに分注した溶液を-20℃で保存することをお勧めします。通常、これらは1ヶ月間使用可能です。使用前、バイアルを開封する前に、製品を少なくとも1時間室温に平衡化させることをお勧めします。溶解性、使用方法、取り扱いについて、さらに詳しいアドバイスが必要ですか？詳しくは、よくある質問（FAQ）のページをご覧ください。

純度

≥98%

名前と識別子

カノニカル・スマイル	CN(C)C(=O)C1C(C2(C(C1O)(C3=C(O2)C=C(C=C3OC)OC)O)C4=CC=C(C=C4)OC)C5=CC=CC=C5
IUPAC Name	(1R,2R,3S,3aR,8bS)-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-N,N-dimethyl-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxamide
InChIKey	DAPAQENNNINUPW-IDAMAFBJSA-N
INCHI	1S/C29H31NO7/c1-30(2)27(32)23-24(17-9-7-6-8-10-17)29(18-11-13-19(34-3)14-12-18)28(33,26(23)31)25-21(36-5)15-20(35-4)16-22(25)37-29/h6-16,23-24,26,31,33H,1-5H3/t23-,24-,26-,28+,29+/m1/s1
異性体SMILES	CN(C)C(=O)[C@@H]1[C@H]([C@]2([C@@]([C@@H]1O)(C3=C(O2)C=C(C=C3OC)OC)O)C4=CC=C(C=C4)OC)C5=CC=CC=C5
PubChem CID	331783
分子量	505.57

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - 分類 Benzofurans
    - Subclass Flavaglines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
分類	Benzofurans
Subclass	Flavaglines
Intermediate Tree Nodes	Not available
Direct Parent	Flavaglines
Alternative Parents	Stilbenes Coumarans Anisoles Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Tertiary carboxylic acid amides Tertiary alcohols Cyclic alcohols and derivatives 1,2-diols Secondary alcohols Oxacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Flavagline skeleton - Stilbene - Coumaran - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Cyclic alcohol - Tertiary carboxylic acid amide - Tertiary alcohol - 1,2-diol - Carboxamide group - Secondary alcohol - Ether - Carboxylic acid derivative - Oxacycle - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
説明	This compound belongs to the class of organic compounds known as flavaglines. These are heterocyclic compounds with a structure characterized by a cyclopenta[b]benzofuran skeleton.
External Descriptors	monocarboxylic acid amide - organic heterotricyclic compound - monomethoxybenzene
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3 D構造

関連ターゲット（人間）

EIF4A1 Tchem Eukaryotic initiation factor 4A-I (5 Activities)

Discover Target: EIF4A1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

RELA Tchem Transcription factor p65 (5 Activities)

Discover Target: RELA

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

NFKB1 Tclin Nuclear factor NF-kappa-B p105 subunit (1 Activities)

Discover Target: NFKB1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

NFKB1 Tclin Nuclear factor NF-kappa-B p105 subunit (1459 Activities)

Discover Target: NFKB1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

A498 (42825 Activities)

溶解度	Soluble in DMSO and ethanol
分子量	505.600 g/mol
XLogP3	2.800
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	505.21 Da
Monoisotopic Mass	505.21 Da
Topological Polar Surface Area	97.700 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	810.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

ロカグラミド - Moligand™, ≥98% , CAS No.84573-16-0

Why this grade

Storage & shipping

Quality documents

Literature proof

概要

Specifications

Documentation

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

🔬 Specification Sheet

Advanced Data

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

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